N-[1-[(2S)-butan-2-yl]piperidin-4-yl]methanesulfonamide

C10H22N2O2S — CID 130440772

IUPACN-[1-[(2S)-butan-2-yl]piperidin-4-yl]methanesulfonamide
SMILESCC[C@H](C)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-4-9(2)12-7-5-10(6-8-12)11-15(3,13)14/h9-11H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyAXOKLBLUXBMRKT-VIFPVBQESA-N
MW234.36 g/mol
LogP0.80
Rot. Bonds4

About N-[1-[(2S)-butan-2-yl]piperidin-4-yl]methanesulfonamide

N-[1-[(2S)-butan-2-yl]piperidin-4-yl]methanesulfonamide (PubChem CID 130440772) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[1-[(2S)-butan-2-yl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2S)-butan-2-yl]piperidin-4-yl]methanesulfonamide
PubChem CID130440772
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[1-[(2S)-butan-2-yl]piperidin-4-yl]methanesulfonamide
SMILESCC[C@H](C)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-4-9(2)12-7-5-10(6-8-12)11-15(3,13)14/h9-11H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyAXOKLBLUXBMRKT-VIFPVBQESA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-4-methylsulfonylpiperidine
CID 121183044
N-(1-ethylpyrrolidin-3-yl)methanesulfonamide
CID 131150504
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methanesulfonamide
CID 47134700
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide
CID 79201762
1-propan-2-yl-4-(sulfamoylamino)piperidine
CID 112684194
N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278
N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 63848083
1-butan-2-yl-N,N-dimethylpiperidin-4-amine
CID 90697678
1-butan-2-yl-4-(difluoromethyl)piperidine
CID 127988916
N-[1-(4-ethylphenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 86919357
N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide
CID 22772688
1-butan-2-ylpiperidine-4-carboxylic acid
CID 43441619

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-butan-2-yl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2S)-butan-2-yl]piperidin-4-yl]methanesulfonamide (CID 130440772) is N-[1-[(2S)-butan-2-yl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2S)-butan-2-yl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2S)-butan-2-yl]piperidin-4-yl]methanesulfonamide is CC[C@H](C)N1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[(2S)-butan-2-yl]piperidin-4-yl]methanesulfonamide?
The InChIKey is AXOKLBLUXBMRKT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-4-9(2)12-7-5-10(6-8-12)11-15(3,13)14/h9-11H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of N-[1-[(2S)-butan-2-yl]piperidin-4-yl]methanesulfonamide?
N-[1-[(2S)-butan-2-yl]piperidin-4-yl]methanesulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-butan-2-yl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 130440772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).